2-azanyl-4-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-(3-propan-2-ylphenyl)butanoic acid

Systemtic Name: 2-azanyl-4-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-(3-propan-2-ylphenyl)butanoic acid Openeye Name: 2-amino-4-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-(3-isopropylphenyl)butanoic acid CAS Name: 2-amino-4-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-(3-propan-2-ylphenyl)butanoic acid IUPAC Name: 2-amino-4-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-(3-propan-2-ylphenyl)butanoic acid Traditional Name: 2-amino-4-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-m-cumenyl-butyric acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)C(CCNS(=O)(=O)C2=C(C=CC(=C2)C#N)O)(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC(=CC=C1)C(CCNS(=O)(=O)C2=C(C=CC(=C2)C#N)O)(C(=O)O)N

InChI

InChI=1S/C20H23N3O5S/c1-13(2)15-4-3-5-16(11-15)20(22,19(25)26)8-9-23-29(27,28)18-10-14(12-21)6-7-17(18)24/h3-7,10-11,13,23-24H,8-9,22H2,1-2H3,(H,25,26)